Molecule

Albogrisin C'

AlkaPlorer ID: AK010276

Synonym: 'Albogrisin C'

IUPAC Name: (4S)-4-[[(1S,2R,3aS)-9b-hydroxy-1-methoxy-3-methyl-2-(methylcarbamoyl)-4-oxo-2,5-dihydro-1H-benzo[e]indole-3a-carbonyl]amino]-7-methyl-5-oxooct-6-enoic acid

Structure

SMILES: CN=C(O)[C@H]1[C@H](OC)C2(O)C3=CC=CC=C3CC(=O)[C@@]2(C(O)=N[C@@H](CCC(=O)O)C(=O)C=C(C)C)N1C

InChI: InChI=1S/C26H33N3O8/c1-14(2)12-18(30)17(10-11-20(32)33)28-24(35)25-19(31)13-15-8-6-7-9-16(15)26(25,36)22(37-5)21(29(25)4)23(34)27-3/h6-9,12,17,21-22,36H,10-11,13H2,1-5H3,(H,27,34)(H,28,35)(H,32,33)/t17-,21+,22-,25-,26?/m0/s1

InChIKey: ZJWSUVTUVLTDNG-PWVHOQKMSA-N

Reference

Characterization and Nonenzymatic Transformation of Three Types of Alkaloids from <i>Streptomyces albogriseolus</i> MGR072 and Discovery of Inhibitors of Indoleamine 2,3-Dioxygenase

PubChem CID: 163116197

LOTUS: LTS0087388

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces albogriseolus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 515.5630000000003

TPSA？: 169.32

MolLogP？: 1.3786999999999996

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi